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PUBCHEM-ZINC00345424

 MMsINC code: MMs02660055
Type: Neutral
Formula: C15H23NO2
SMILES:   O=[N+]([O-])c1c(cc(cc1C)C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C15H23NO2/c1-10-8-11(14(2,3)4)9-12(15(5,6)7)13(10)16(17)18/h8-9H,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -6.06129  SlogP: 4.49822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154244  Sterimol/B1: 1.969  Sterimol/B2: 3.62314  Sterimol/B3: 3.6358
  Sterimol/B4: 8.18893  Sterimol/L: 11.6709 
 
 Surface and Volume Properties
  Accessible surface: 475.132  Positive charged surface: 284.232  Negative charged surface: 190.9  Volume: 264.5
  Hydrophobic surface: 321.932  Hydrophilic surface: 153.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.